3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde

C36H34N4O6 — CID 42632627

IUPAC3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde
SMILESCOc1ccccc1Cc1cc(-c2ccccc2)nnc1N/N=C/c1ccc(OCCOc2ccc(C=O)cc2OC)c(OC)c1
InChIInChI=1S/C36H34N4O6/c1-42-31-12-8-7-11-28(31)21-29-22-30(27-9-5-4-6-10-27)38-40-36(29)39-37-23-25-13-15-32(34(19-25)43-2)45-17-18-46-33-16-14-26(24-41)20-35(33)44-3/h4-16,19-20,22-24H,17-18,21H2,1-3H3,(H,39,40)/b37-23+
InChIKeyCWMMDFPNCAOFHY-GUBAARJWSA-N
MW618.69 g/mol
LogP6.48
Rot. Bonds15

About 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde

3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde (PubChem CID 42632627) has the molecular formula C36H34N4O6 and a molecular weight of 618.69 g/mol. Its IUPAC name is 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde
PubChem CID42632627
Molecular FormulaC36H34N4O6
Molecular Weight618.69 g/mol
Exact Mass618.25
IUPAC Name3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde
SMILESCOc1ccccc1Cc1cc(-c2ccccc2)nnc1N/N=C/c1ccc(OCCOc2ccc(C=O)cc2OC)c(OC)c1
InChIInChI=1S/C36H34N4O6/c1-42-31-12-8-7-11-28(31)21-29-22-30(27-9-5-4-6-10-27)38-40-36(29)39-37-23-25-13-15-32(34(19-25)43-2)45-17-18-46-33-16-14-26(24-41)20-35(33)44-3/h4-16,19-20,22-24H,17-18,21H2,1-3H3,(H,39,40)/b37-23+
InChIKeyCWMMDFPNCAOFHY-GUBAARJWSA-N
XLogP6.48
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol
CID 135879390
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
(3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one
CID 42631799
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920862
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576710
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578617
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
[(6E)-2,3,4,5-tetraacetyloxy-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexyl] acetate
CID 45272912
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5,6-dimethyl-2-phenylpyrimidin-4-amine
CID 5332826

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde (CID 42632627) is 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde is COc1ccccc1Cc1cc(-c2ccccc2)nnc1N/N=C/c1ccc(OCCOc2ccc(C=O)cc2OC)c(OC)c1.
What is the InChIKey of 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde?
The InChIKey is CWMMDFPNCAOFHY-GUBAARJWSA-N. The full InChI is InChI=1S/C36H34N4O6/c1-42-31-12-8-7-11-28(31)21-29-22-30(27-9-5-4-6-10-27)38-40-36(29)39-37-23-25-13-15-32(34(19-25)43-2)45-17-18-46-33-16-14-26(24-41)20-35(33)44-3/h4-16,19-20,22-24H,17-18,21H2,1-3H3,(H,39,40)/b37-23+.
What are the key properties of 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde?
3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde has a molecular weight of 618.69 g/mol, XLogP of 6.48, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde is sourced from PubChem (CID 42632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).